3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde

C13H23NO4 — CID 82690939

IUPAC3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCC(OCCO)CC2)CCOC1
InChIInChI=1S/C13H23NO4/c15-6-8-18-12-1-4-14(5-2-12)9-13(10-16)3-7-17-11-13/h10,12,15H,1-9,11H2
InChIKeyMOVUZXDZSAUECE-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.07
Rot. Bonds6

About 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde

3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde (PubChem CID 82690939) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde.

Molecular Properties

Compound Name3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde
PubChem CID82690939
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde
SMILESO=CC1(CN2CCC(OCCO)CC2)CCOC1
InChIInChI=1S/C13H23NO4/c15-6-8-18-12-1-4-14(5-2-12)9-13(10-16)3-7-17-11-13/h10,12,15H,1-9,11H2
InChIKeyMOVUZXDZSAUECE-UHFFFAOYSA-N
XLogP0.07
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde?
The IUPAC name of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde (CID 82690939) is 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde.
What is the SMILES notation for 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde?
The canonical SMILES for 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde is O=CC1(CN2CCC(OCCO)CC2)CCOC1.
What is the InChIKey of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde?
The InChIKey is MOVUZXDZSAUECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c15-6-8-18-12-1-4-14(5-2-12)9-13(10-16)3-7-17-11-13/h10,12,15H,1-9,11H2.
What are the key properties of 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde?
3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde has a molecular weight of 257.33 g/mol, XLogP of 0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxolane-3-carbaldehyde is sourced from PubChem (CID 82690939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).